1u8a
From Proteopedia
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|PDB= 1u8a |SIZE=350|CAPTION= <scene name='initialview01'>1u8a</scene>, resolution 2.15Å | |PDB= 1u8a |SIZE=350|CAPTION= <scene name='initialview01'>1u8a</scene>, resolution 2.15Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand= | + | |LIGAND= <scene name='pdbligand=ADP:ADENOSINE-5'-DIPHOSPHATE'>ADP</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=SKM:(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC+ACID'>SKM</scene> |
| - | |ACTIVITY= [http://en.wikipedia.org/wiki/Shikimate_kinase Shikimate kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.71 2.7.1.71] | + | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Shikimate_kinase Shikimate kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.71 2.7.1.71] </span> |
|GENE= aroK ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 Mycobacterium tuberculosis]) | |GENE= aroK ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 Mycobacterium tuberculosis]) | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1l4y|1L4Y]], [[1l4u|1L4U]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1u8a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1u8a OCA], [http://www.ebi.ac.uk/pdbsum/1u8a PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1u8a RCSB]</span> | ||
}} | }} | ||
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[[Category: Ren, J.]] | [[Category: Ren, J.]] | ||
[[Category: Stammers, D K.]] | [[Category: Stammers, D K.]] | ||
| - | [[Category: ADP]] | ||
| - | [[Category: CL]] | ||
| - | [[Category: SKM]] | ||
[[Category: 2 phorsphoryl transfer]] | [[Category: 2 phorsphoryl transfer]] | ||
[[Category: drug design]] | [[Category: drug design]] | ||
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[[Category: x-ray crystallography]] | [[Category: x-ray crystallography]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 00:06:41 2008'' |
Revision as of 21:06, 30 March 2008
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| , resolution 2.15Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , , | ||||||
| Gene: | aroK (Mycobacterium tuberculosis) | ||||||
| Activity: | Shikimate kinase, with EC number 2.7.1.71 | ||||||
| Related: | 1L4Y, 1L4U
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Crystal Structure of Mycobacterium Tuberculosis Shikimate Kinase in Complex with Shikimate and ADP at 2.15 Angstrom Resolution
Overview
The X-ray crystal structure of Mycobacterium tuberculosis shikimate kinase (SK) with bound shikimate and adenosine diphosphate (ADP) has been determined to a resolution of 2.15 A. The binding of shikimate in a shikimate kinase crystal structure has not previously been reported. The substrate binds in a pocket lined with hydrophobic residues and interacts with several highly conserved charged residues including Asp34, Arg58, Glu61 and Arg136 which project into the cavity. Comparisons of our ternary SK-ADP-shikimate complex with an earlier binary SK-ADP complex show that conformational changes occur on shikimate binding with the substrate-binding domain rotating by 10 degrees. Detailed knowledge of shikimate binding is an important step in the design of inhibitors of SK, which have potential as novel anti-tuberculosis agents.
About this Structure
1U8A is a Single protein structure of sequence from Mycobacterium tuberculosis. Full crystallographic information is available from OCA.
Reference
Crystallographic studies of shikimate binding and induced conformational changes in Mycobacterium tuberculosis shikimate kinase., Dhaliwal B, Nichols CE, Ren J, Lockyer M, Charles I, Hawkins AR, Stammers DK, FEBS Lett. 2004 Sep 10;574(1-3):49-54. PMID:15358538
Page seeded by OCA on Mon Mar 31 00:06:41 2008
